MMsINC Database Search


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MMsINC code: MMs00740052

Type: Neutral
Formula: C₁₇H₂₀O₄

SMILES:

O(CCCOc1ccc(OC)cc1)c1cc(OC)ccc1

InChI:

InChI=1/C17H20O4/c1-18-14-7-9-15(10-8-14)20-11-4-12-21-17-6-3-5-16(13-17)19-2/h3,5-10,13H,4,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.5504 kcal/mol

Physical Properties
Molecular Weight: 288.343 g/mol	logS: -3.58251	SlogP: 3.5517	Reactive groups: 0

Topological Properties
Globularity: 0.00691335	Sterimol/B1: 2.37522	Sterimol/B2: 2.37922	Sterimol/B3: 2.51824
Sterimol/B4: 6.36516	Sterimol/L: 20.8554

Surface and Volume Properties
Accessible surface: 589.855	Positive charged surface: 419.784	Negative charged surface: 170.071	Volume: 291.125
Hydrophobic surface: 554.249	Hydrophilic surface: 35.606

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.